6-(cyclopropen-1-yl)-4-ethoxy-1,5,6,8a-tetrahydroquinolin-2-amine

C14H18N2O — CID 163549677

IUPAC6-(cyclopropen-1-yl)-4-ethoxy-1,5,6,8a-tetrahydroquinolin-2-amine
SMILESCCOC1=C2CC(C3=CC3)C=CC2NC(N)=C1
InChIInChI=1S/C14H18N2O/c1-2-17-13-8-14(15)16-12-6-5-10(7-11(12)13)9-3-4-9/h3,5-6,8,10,12,16H,2,4,7,15H2,1H3
InChIKeyFIABPZCADGRVRQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.96
Rot. Bonds3

About 6-(cyclopropen-1-yl)-4-ethoxy-1,5,6,8a-tetrahydroquinolin-2-amine

6-(cyclopropen-1-yl)-4-ethoxy-1,5,6,8a-tetrahydroquinolin-2-amine (PubChem CID 163549677) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-(cyclopropen-1-yl)-4-ethoxy-1,5,6,8a-tetrahydroquinolin-2-amine.

Molecular Properties

Compound Name6-(cyclopropen-1-yl)-4-ethoxy-1,5,6,8a-tetrahydroquinolin-2-amine
PubChem CID163549677
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name6-(cyclopropen-1-yl)-4-ethoxy-1,5,6,8a-tetrahydroquinolin-2-amine
SMILESCCOC1=C2CC(C3=CC3)C=CC2NC(N)=C1
InChIInChI=1S/C14H18N2O/c1-2-17-13-8-14(15)16-12-6-5-10(7-11(12)13)9-3-4-9/h3,5-6,8,10,12,16H,2,4,7,15H2,1H3
InChIKeyFIABPZCADGRVRQ-UHFFFAOYSA-N
XLogP1.96
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropen-1-yl)-4-ethoxy-1,5,6,8a-tetrahydroquinolin-2-amine?
The IUPAC name of 6-(cyclopropen-1-yl)-4-ethoxy-1,5,6,8a-tetrahydroquinolin-2-amine (CID 163549677) is 6-(cyclopropen-1-yl)-4-ethoxy-1,5,6,8a-tetrahydroquinolin-2-amine.
What is the SMILES notation for 6-(cyclopropen-1-yl)-4-ethoxy-1,5,6,8a-tetrahydroquinolin-2-amine?
The canonical SMILES for 6-(cyclopropen-1-yl)-4-ethoxy-1,5,6,8a-tetrahydroquinolin-2-amine is CCOC1=C2CC(C3=CC3)C=CC2NC(N)=C1.
What is the InChIKey of 6-(cyclopropen-1-yl)-4-ethoxy-1,5,6,8a-tetrahydroquinolin-2-amine?
The InChIKey is FIABPZCADGRVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-17-13-8-14(15)16-12-6-5-10(7-11(12)13)9-3-4-9/h3,5-6,8,10,12,16H,2,4,7,15H2,1H3.
What are the key properties of 6-(cyclopropen-1-yl)-4-ethoxy-1,5,6,8a-tetrahydroquinolin-2-amine?
6-(cyclopropen-1-yl)-4-ethoxy-1,5,6,8a-tetrahydroquinolin-2-amine has a molecular weight of 230.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropen-1-yl)-4-ethoxy-1,5,6,8a-tetrahydroquinolin-2-amine is sourced from PubChem (CID 163549677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).